5-chloro-N-cyclobutyl-6-(propylamino)pyridine-3-carboxamide

C13H18ClN3O — CID 62414075

IUPAC5-chloro-N-cyclobutyl-6-(propylamino)pyridine-3-carboxamide
SMILESCCCNc1ncc(C(=O)NC2CCC2)cc1Cl
InChIInChI=1S/C13H18ClN3O/c1-2-6-15-12-11(14)7-9(8-16-12)13(18)17-10-4-3-5-10/h7-8,10H,2-6H2,1H3,(H,15,16)(H,17,18)
InChIKeyMKTOTTNDVPMPSX-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.84
Rot. Bonds5

About 5-chloro-N-cyclobutyl-6-(propylamino)pyridine-3-carboxamide

5-chloro-N-cyclobutyl-6-(propylamino)pyridine-3-carboxamide (PubChem CID 62414075) has the molecular formula C13H18ClN3O and a molecular weight of 267.76 g/mol. Its IUPAC name is 5-chloro-N-cyclobutyl-6-(propylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-cyclobutyl-6-(propylamino)pyridine-3-carboxamide
PubChem CID62414075
Molecular FormulaC13H18ClN3O
Molecular Weight267.76 g/mol
Exact Mass267.11
IUPAC Name5-chloro-N-cyclobutyl-6-(propylamino)pyridine-3-carboxamide
SMILESCCCNc1ncc(C(=O)NC2CCC2)cc1Cl
InChIInChI=1S/C13H18ClN3O/c1-2-6-15-12-11(14)7-9(8-16-12)13(18)17-10-4-3-5-10/h7-8,10H,2-6H2,1H3,(H,15,16)(H,17,18)
InChIKeyMKTOTTNDVPMPSX-UHFFFAOYSA-N
XLogP2.84
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-6-(ethylamino)-N-(4-hydroxycyclohexyl)pyridine-3-carboxamide
CID 62171335
5-chloro-N-(2-oxopiperidin-3-yl)-6-(propylamino)pyridine-3-carboxamide
CID 62181828
N-tert-butyl-5-chloro-6-(propylamino)pyridine-3-carboxamide
CID 62171459
5-chloro-N-piperidin-1-yl-6-(propylamino)pyridine-3-carboxamide
CID 83023979
5-chloro-6-(methylamino)-N-(4-methylcyclohexyl)pyridine-3-carboxamide
CID 55042305
5-chloro-6-(ethylamino)-N-(1-methylpiperidin-3-yl)pyridine-3-carboxamide
CID 62180970
5-chloro-N-cyclopropyl-N-ethyl-6-(propylamino)pyridine-3-carboxamide
CID 62169292
5-chloro-6-(propylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 62172627
[5-chloro-6-(propylamino)-3-pyridinyl]-(2-ethylpyrrolidin-1-yl)methanone
CID 62187046
5-bromo-N-cyclobutyl-2-(propylamino)pyridine-3-carboxamide
CID 62414263
5-chloro-6-(ethylamino)-N-(2-methylcyclopropyl)pyridine-3-carboxamide
CID 55071772
N-(5-amino-5-oxopentyl)-5-chloro-6-(propylamino)pyridine-3-carboxamide
CID 106241047

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-cyclobutyl-6-(propylamino)pyridine-3-carboxamide?
The IUPAC name of 5-chloro-N-cyclobutyl-6-(propylamino)pyridine-3-carboxamide (CID 62414075) is 5-chloro-N-cyclobutyl-6-(propylamino)pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-N-cyclobutyl-6-(propylamino)pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-N-cyclobutyl-6-(propylamino)pyridine-3-carboxamide is CCCNc1ncc(C(=O)NC2CCC2)cc1Cl.
What is the InChIKey of 5-chloro-N-cyclobutyl-6-(propylamino)pyridine-3-carboxamide?
The InChIKey is MKTOTTNDVPMPSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O/c1-2-6-15-12-11(14)7-9(8-16-12)13(18)17-10-4-3-5-10/h7-8,10H,2-6H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 5-chloro-N-cyclobutyl-6-(propylamino)pyridine-3-carboxamide?
5-chloro-N-cyclobutyl-6-(propylamino)pyridine-3-carboxamide has a molecular weight of 267.76 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-cyclobutyl-6-(propylamino)pyridine-3-carboxamide is sourced from PubChem (CID 62414075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).